N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide

C25H32N6O2 — CID 110088970

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)c1
InChIInChI=1S/C25H32N6O2/c1-17-11-21(28-20-8-5-9-22(12-20)33-4)13-23(27-17)19-7-6-10-31(15-19)16-25(32)29-24-14-26-30(3)18(24)2/h5,8-9,11-14,19H,6-7,10,15-16H2,1-4H3,(H,27,28)(H,29,32)
InChIKeyJVKFRESFMWOGPJ-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.00
Rot. Bonds7

About N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110088970) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID110088970
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)c1
InChIInChI=1S/C25H32N6O2/c1-17-11-21(28-20-8-5-9-22(12-20)33-4)13-23(27-17)19-7-6-10-31(15-19)16-25(32)29-24-14-26-30(3)18(24)2/h5,8-9,11-14,19H,6-7,10,15-16H2,1-4H3,(H,27,28)(H,29,32)
InChIKeyJVKFRESFMWOGPJ-UHFFFAOYSA-N
XLogP4.00
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110088939
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110130260
N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020442
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110095008
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(1,3-dimethylpyrazol-4-yl)-2-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]acetamide
CID 92613112
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 95834814

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide (CID 110088970) is N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide is COc1cccc(Nc2cc(C)nc(C3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)c1.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is JVKFRESFMWOGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17-11-21(28-20-8-5-9-22(12-20)33-4)13-23(27-17)19-7-6-10-31(15-19)16-25(32)29-24-14-26-30(3)18(24)2/h5,8-9,11-14,19H,6-7,10,15-16H2,1-4H3,(H,27,28)(H,29,32).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide?
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110088970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).